5-azido-2-hydroxy-3-methylbenzoic acid

C8H7N3O3 — CID 138740982

IUPAC5-azido-2-hydroxy-3-methylbenzoic acid
SMILESCc1cc(N=[N+]=[N-])cc(C(=O)O)c1O
InChIInChI=1S/C8H7N3O3/c1-4-2-5(10-11-9)3-6(7(4)12)8(13)14/h2-3,12H,1H3,(H,13,14)
InChIKeyVFCMSENWTJDJEB-UHFFFAOYSA-N
MW193.16 g/mol
LogP2.34
Rot. Bonds2

About 5-azido-2-hydroxy-3-methylbenzoic acid

5-azido-2-hydroxy-3-methylbenzoic acid (PubChem CID 138740982) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-azido-2-hydroxy-3-methylbenzoic acid.

Molecular Properties

Compound Name5-azido-2-hydroxy-3-methylbenzoic acid
PubChem CID138740982
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-azido-2-hydroxy-3-methylbenzoic acid
SMILESCc1cc(N=[N+]=[N-])cc(C(=O)O)c1O
InChIInChI=1S/C8H7N3O3/c1-4-2-5(10-11-9)3-6(7(4)12)8(13)14/h2-3,12H,1H3,(H,13,14)
InChIKeyVFCMSENWTJDJEB-UHFFFAOYSA-N
XLogP2.34
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[(3-carboxy-4-hydroxy-5-methylphenyl)diazenyl]phthalic acid
CID 174516752
5-[(3-chloro-4-methylphenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid
CID 136794336
3-amino-5-azido-2-(2-methylphenyl)benzoic acid
CID 154301465
5-azido-2-methylphenol
CID 90382117
5-azido-2-(4-chloroanilino)benzoic acid
CID 21438627
5-azido-2-phenylsulfanylbenzoic acid
CID 169326412
3-bromo-2,4-dihydroxy-5-methylbenzoic acid
CID 84803245
5-formyl-2-hydroxy-3-methylbenzoic acid
CID 158743279
3-amino-5-azido-2-(4-hydroxyphenyl)benzoic acid
CID 154293226
3-chloro-2,4-dihydroxy-5-methylbenzoic acid
CID 84776985
4-azido-2-methylbenzenesulfonic acid
CID 151456174
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107

Frequently Asked Questions

What is the IUPAC name of 5-azido-2-hydroxy-3-methylbenzoic acid?
The IUPAC name of 5-azido-2-hydroxy-3-methylbenzoic acid (CID 138740982) is 5-azido-2-hydroxy-3-methylbenzoic acid.
What is the SMILES notation for 5-azido-2-hydroxy-3-methylbenzoic acid?
The canonical SMILES for 5-azido-2-hydroxy-3-methylbenzoic acid is Cc1cc(N=[N+]=[N-])cc(C(=O)O)c1O.
What is the InChIKey of 5-azido-2-hydroxy-3-methylbenzoic acid?
The InChIKey is VFCMSENWTJDJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-4-2-5(10-11-9)3-6(7(4)12)8(13)14/h2-3,12H,1H3,(H,13,14).
What are the key properties of 5-azido-2-hydroxy-3-methylbenzoic acid?
5-azido-2-hydroxy-3-methylbenzoic acid has a molecular weight of 193.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2-hydroxy-3-methylbenzoic acid is sourced from PubChem (CID 138740982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).